2-methoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide

C25H28N4O3 — CID 24790333

IUPAC2-methoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(C(=O)c2ccc(C)cc2)CC1)c1ccccc1
InChIInChI=1S/C25H28N4O3/c1-18-8-10-20(11-9-18)25(31)28-16-13-21(14-17-28)29-22(12-15-26-29)27-24(30)23(32-2)19-6-4-3-5-7-19/h3-12,15,21,23H,13-14,16-17H2,1-2H3,(H,27,30)
InChIKeyJMHPCTFBLOUZFE-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.00
Rot. Bonds6

About 2-methoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide

2-methoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (PubChem CID 24790333) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-methoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
PubChem CID24790333
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name2-methoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(C(=O)c2ccc(C)cc2)CC1)c1ccccc1
InChIInChI=1S/C25H28N4O3/c1-18-8-10-20(11-9-18)25(31)28-16-13-21(14-17-28)29-22(12-15-26-29)27-24(30)23(32-2)19-6-4-3-5-7-19/h3-12,15,21,23H,13-14,16-17H2,1-2H3,(H,27,30)
InChIKeyJMHPCTFBLOUZFE-UHFFFAOYSA-N
XLogP4.00
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The IUPAC name of 2-methoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (CID 24790333) is 2-methoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.
What is the SMILES notation for 2-methoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The canonical SMILES for 2-methoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is COC(C(=O)Nc1ccnn1C1CCN(C(=O)c2ccc(C)cc2)CC1)c1ccccc1.
What is the InChIKey of 2-methoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The InChIKey is JMHPCTFBLOUZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-18-8-10-20(11-9-18)25(31)28-16-13-21(14-17-28)29-22(12-15-26-29)27-24(30)23(32-2)19-6-4-3-5-7-19/h3-12,15,21,23H,13-14,16-17H2,1-2H3,(H,27,30).
What are the key properties of 2-methoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
2-methoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide has a molecular weight of 432.52 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 24790333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).